BindingDB logo
myBDB logout

17 similar compounds to monomer 50075733

Compile data set for download or QSAR
Wt: 498.8
BDBM50081070
Wt: 420.4
BDBM50075730
Wt: 354.4
BDBM50075735
Wt: 353.4
BDBM50075736
Wt: 370.4
BDBM50075743
Wt: 429.5
BDBM50075747
Wt: 396.3
BDBM50076442
Purchase
Wt: 282.7
BDBM50110806
Wt: 350.4
BDBM50110808
Wt: 350.4
BDBM50110809
Wt: 339.3
BDBM50110812
Wt: 408.3
BDBM50130684
Wt: 389.4
BDBM50130691
Wt: 496.6
BDBM50148754
Wt: 363.3
BDBM50167960

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50081070,50075730,50075735,50075736,50075743,50075747,50076442,50110806,50110808,50110809,50110812,50130684,50130691,50148754,50167960   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of BLK (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b...


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075736
PNG
(CHEMBL3415584)
Show SMILES Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C20H27N5O/c1-12-7-13(2)9-14(8-12)24-18-10-15(11-23-19(18)20(22)26)25-17-6-4-3-5-16(17)21/h7-11,16-17,24-25H,3-6,21H2,1-2H3,(H2,22,26)/t16-,17+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075743
PNG
(CHEMBL3415593)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O2/c1-11-7-13(27-2)9-17(23-11)25-16-8-12(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075747
PNG
(CHEMBL3415597)
Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1
Show InChI InChI=1S/C21H31N7O3/c1-12-25-17(9-18(26-12)31-11-21(2,3)30)28-16-8-13(10-24-19(16)20(23)29)27-15-7-5-4-6-14(15)22/h8-10,14-15,27,30H,4-7,11,22H2,1-3H3,(H2,23,29)(H,25,26,28)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075747
PNG
(CHEMBL3415597)
Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1
Show InChI InChI=1S/C21H31N7O3/c1-12-25-17(9-18(26-12)31-11-21(2,3)30)28-16-8-13(10-24-19(16)20(23)29)27-15-7-5-4-6-14(15)22/h8-10,14-15,27,30H,4-7,11,22H2,1-3H3,(H2,23,29)(H,25,26,28)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075743
PNG
(CHEMBL3415593)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O2/c1-11-7-13(27-2)9-17(23-11)25-16-8-12(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Zap70 (unknown origin) expressed in insect SF9 cells using biotin-EQEDEPEGDYFEWLE-CONH2 as substrate preincubated for 10 mins...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Histone acetyltransferase GCN5


(Saccharomyces cerevisiae S288c)
BDBM50076442
PNG
(CHEMBL3416531)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)CC(Sc2nnnn2-c2ccccc2)C1=O
Show InChI InChI=1S/C17H12N6O4S/c24-15-10-14(16(25)21(15)11-6-8-13(9-7-11)23(26)27)28-17-18-19-20-22(17)12-4-2-1-3-5-12/h1-9,14H,10H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Mayo Clinic College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...


J Med Chem 58: 2091-113 (2015)


Article DOI: 10.1021/jm5019093
BindingDB Entry DOI: 10.7270/Q26M38J9
More data for this
Ligand-Target Pair
Histone acetyltransferase GCN5


(Saccharomyces cerevisiae S288c)
BDBM50076442
PNG
(CHEMBL3416531)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)CC(Sc2nnnn2-c2ccccc2)C1=O
Show InChI InChI=1S/C17H12N6O4S/c24-15-10-14(16(25)21(15)11-6-8-13(9-7-11)23(26)27)28-17-18-19-20-22(17)12-4-2-1-3-5-12/h1-9,14H,10H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Mayo Clinic College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...


J Med Chem 58: 2091-113 (2015)


Article DOI: 10.1021/jm5019093
BindingDB Entry DOI: 10.7270/Q26M38J9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human AR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human PR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ER-alpha


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50081070
PNG
(CHEMBL3421892)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ER-beta


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50110806
PNG
(CHEMBL3605951)
Show SMILES Clc1ccc(cc1)C(=O)C(=C)n1cnc2ccccc12
Show InChI InChI=1S/C16H11ClN2O/c1-11(16(20)12-6-8-13(17)9-7-12)19-10-18-14-4-2-3-5-15(14)19/h2-10H,1H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay


Bioorg Med Chem 23: 5946-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.066
BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50110809
PNG
(CHEMBL3606008)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccn4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-6-3-4-14-12-24(20(26)18(14)17)16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,16H,7-8,10-13H2,(H2,21,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 42n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50110808
PNG
(CHEMBL3606007)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccnc4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-5-1-4-15-13-24(20(26)18(15)17)16-6-9-23(10-7-16)12-14-3-2-8-22-11-14/h1-5,8,11,16H,6-7,9-10,12-13H2,(H2,21,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 72n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50110812
PNG
(CHEMBL3606011)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccco4)CC3)C(=O)c12
Show InChI InChI=1S/C19H21N3O3/c20-18(23)16-5-1-3-13-11-22(19(24)17(13)16)14-6-8-21(9-7-14)12-15-4-2-10-25-15/h1-5,10,14H,6-9,11-12H2,(H2,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50110808
PNG
(CHEMBL3606007)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccnc4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-5-1-4-15-13-24(20(26)18(15)17)16-6-9-23(10-7-16)12-14-3-2-8-22-11-14/h1-5,8,11,16H,6-7,9-10,12-13H2,(H2,21,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50110809
PNG
(CHEMBL3606008)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccn4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-6-3-4-14-12-24(20(26)18(14)17)16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,16H,7-8,10-13H2,(H2,21,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110812
PNG
(CHEMBL3606011)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccco4)CC3)C(=O)c12
Show InChI InChI=1S/C19H21N3O3/c20-18(23)16-5-1-3-13-11-22(19(24)17(13)16)14-6-8-21(9-7-14)12-15-4-2-10-25-15/h1-5,10,14H,6-9,11-12H2,(H2,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.70E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110809
PNG
(CHEMBL3606008)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccn4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-6-3-4-14-12-24(20(26)18(14)17)16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,16H,7-8,10-13H2,(H2,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+4n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110808
PNG
(CHEMBL3606007)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccnc4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-5-1-4-15-13-24(20(26)18(15)17)16-6-9-23(10-7-16)12-14-3-2-8-22-11-14/h1-5,8,11,16H,6-7,9-10,12-13H2,(H2,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130684
PNG
(CHEMBL3634502)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-27-9-12(14(26-27)17(18,19)20)24-16(29)11-8-22-28-6-4-13(25-15(11)28)23-10-3-2-5-21-7-10/h4,6,8-10,21H,2-3,5,7H2,1H3,(H,23,25)(H,24,29)/t10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130691
PNG
(CHEMBL3634508)
Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F
Show InChI InChI=1S/C18H21F2N7O/c1-26-10-13(16(25-26)17(19)20)23-18(28)14-6-4-12-5-7-15(24-27(12)14)22-11-3-2-8-21-9-11/h4-7,10-11,17,21H,2-3,8-9H2,1H3,(H,22,24)(H,23,28)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130684
PNG
(CHEMBL3634502)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N8O/c1-27-9-12(14(26-27)17(18,19)20)24-16(29)11-8-22-28-6-4-13(25-15(11)28)23-10-3-2-5-21-7-10/h4,6,8-10,21H,2-3,5,7H2,1H3,(H,23,25)(H,24,29)/t10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 in human PBMC


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130691
PNG
(CHEMBL3634508)
Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F
Show InChI InChI=1S/C18H21F2N7O/c1-26-10-13(16(25-26)17(19)20)23-18(28)14-6-4-12-5-7-15(24-27(12)14)22-11-3-2-8-21-9-11/h4-7,10-11,17,21H,2-3,8-9H2,1H3,(H,22,24)(H,23,28)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 in human PBMC


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50148754
PNG
(CHEMBL3769473)
Show SMILES O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)Nc1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C26H20N6OS2/c33-21(27-26-32-29-22(35-26)16-18-10-4-1-5-11-18)17-34-25-28-23(19-12-6-2-7-13-19)24(30-31-25)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,27,32,33)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.99E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167960
PNG
(CHEMBL3799512)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1
Show InChI InChI=1S/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167960
PNG
(CHEMBL3799512)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1
Show InChI InChI=1S/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<5.01E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167960
PNG
(CHEMBL3799512)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1
Show InChI InChI=1S/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as accumulation of N-Met-14-3-3gamma after 24 hrs by Western blot method


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of LCK activated GST-fused ZAP70 (unknown origin) expressed in fall armyworm sf9 cells preincubated for 10 mins followed by biotin-EQEDEPE...


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair